Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | BCR | P11274 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 2/20 | 0.31 |
| ▸ | SYK | P43405 | 2/20 | 0.31 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4047151 | 0.89 | PDPK1 (0.39) | CYP17A1ABL1BCRCYP2A6PDPK1 | |
| SCHEMBL4509373 | 0.89 | SNCA (0.42) | SNCAKDM4EMEN1LMNAMAPT | |
| SCHEMBL25403240 | 0.76 | SNCA (0.42) | CYP17A1SNCAKDM4EMEN1LMNA | |
| SCHEMBL20641436 | 0.74 | SNCA (0.41) | SNCAKDM4EMEN1LMNAMAPT | |
| SCHEMBL11440352 | 0.73 | ADORA2A (0.41) | ABL1BCRCYP2A6PDPK1CHEK2 | |
| SCHEMBL13393593 | 0.73 | SRC (0.47) | CYP17A1PDPK1LMNAMAPTNPC1 | |
| SCHEMBL20645325 | 0.71 | SNCA (0.39) | SNCAKDM4EMEN1LMNAMAPT | |
| SCHEMBL25405292 | 0.70 | HSD17B1 (0.41) | SNCACYP2A6KDM4EMEN1LMNA | |
| SCHEMBL25400693 | 0.70 | ALDH1A3 (0.38) | SNCACYP2A6KDM4EMEN1LMNA | |
| SCHEMBL25402313 | 0.70 | SNCA (0.41) | SNCAABL1KDM4EMEN1LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1697333-A4 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-07-08 | — | — | EP | disclosed |
| EP-1697333-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058848-A1 | (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2005-06-30 | — | — | WO | disclosed |